N-(pentan-3-ylideneamino)benzamide

C12H16N2O — CID 4611553

IUPACN-(pentan-3-ylideneamino)benzamide
SMILESCCC(CC)=NNC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-3-11(4-2)13-14-12(15)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,14,15)
InChIKeyWIEWXLLIRUGEMQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.59
Rot. Bonds4

About N-(pentan-3-ylideneamino)benzamide

N-(pentan-3-ylideneamino)benzamide (PubChem CID 4611553) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(pentan-3-ylideneamino)benzamide.

Molecular Properties

Compound NameN-(pentan-3-ylideneamino)benzamide
PubChem CID4611553
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(pentan-3-ylideneamino)benzamide
SMILESCCC(CC)=NNC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-3-11(4-2)13-14-12(15)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,14,15)
InChIKeyWIEWXLLIRUGEMQ-UHFFFAOYSA-N
XLogP2.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(heptan-4-ylideneamino)-4-phenylbenzamide
CID 5067120
N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
CID 8518193
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
4-nitro-N-(pentan-3-ylideneamino)benzamide
CID 4230759
N-[(E)-1,1,1-trideuteriopropan-2-ylideneamino]benzamide
CID 175869908
2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide
CID 3532425
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
N-(diaminomethylideneamino)benzamide;hydrochloride
CID 156587607
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
CID 129248931

Frequently Asked Questions

What is the IUPAC name of N-(pentan-3-ylideneamino)benzamide?
The IUPAC name of N-(pentan-3-ylideneamino)benzamide (CID 4611553) is N-(pentan-3-ylideneamino)benzamide.
What is the SMILES notation for N-(pentan-3-ylideneamino)benzamide?
The canonical SMILES for N-(pentan-3-ylideneamino)benzamide is CCC(CC)=NNC(=O)c1ccccc1.
What is the InChIKey of N-(pentan-3-ylideneamino)benzamide?
The InChIKey is WIEWXLLIRUGEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-11(4-2)13-14-12(15)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N-(pentan-3-ylideneamino)benzamide?
N-(pentan-3-ylideneamino)benzamide has a molecular weight of 204.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentan-3-ylideneamino)benzamide is sourced from PubChem (CID 4611553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).